Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 324.4 BDBM68059Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
X-box-binding protein 1 (Homo sapiens (Human))	BDBM68059 (MLS000335163 | N-cyclopropyl-5-(2,5-dimethyl-1-phe...) Show SMILES Cc1cc(c(C)n1-c1ccccc1)C1=NN=C(NC2CC2)SC1 |t:15,17| Show InChI InChI=1S/C18H20N4S/c1-12-10-16(13(2)22(12)15-6-4-3-5-7-15)17-11-23-18(21-20-17)19-14-8-9-14/h3-7,10,14H,8-9,11H2,1-2H3,(H,19,21)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.56E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2NK3CGB
					More data for this Ligand-Target Pair
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM68059 (MLS000335163 | N-cyclopropyl-5-(2,5-dimethyl-1-phe...) Show SMILES Cc1cc(c(C)n1-c1ccccc1)C1=NN=C(NC2CC2)SC1 |t:15,17| Show InChI InChI=1S/C18H20N4S/c1-12-10-16(13(2)22(12)15-6-4-3-5-7-15)17-11-23-18(21-20-17)19-14-8-9-14/h3-7,10,14H,8-9,11H2,1-2H3,(H,19,21)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	6.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q28C9TQN
					More data for this Ligand-Target Pair
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM68059 (MLS000335163 | N-cyclopropyl-5-(2,5-dimethyl-1-phe...) Show SMILES Cc1cc(c(C)n1-c1ccccc1)C1=NN=C(NC2CC2)SC1 |t:15,17| Show InChI InChI=1S/C18H20N4S/c1-12-10-16(13(2)22(12)15-6-4-3-5-7-15)17-11-23-18(21-20-17)19-14-8-9-14/h3-7,10,14H,8-9,11H2,1-2H3,(H,19,21)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	6.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2PC30VZ
					More data for this Ligand-Target Pair